Methyl 3-bromo-4-cyano-5-methylbenzoate

CAS Registry Number®

1805580-91-9
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CAS Name

Methyl 3-bromo-4-cyano-5-methylbenzoate

Molecular Formula

C10H8BrNO2

Molecular Mass

254.08

Cite this Page

Methyl 3-bromo-4-cyano-5-methylbenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1805580-91-9 (retrieved 2024-07-06) (CAS RN: 1805580-91-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H8BrNO2/c1-6-3-7(10(13)14-2)4-9(11)8(6)5-12/h3-4H,1-2H3

InChIKey

InChIKey=NXKPLFMDLSADFR-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC(Br)=C(C#N)C(C)=C1

Canonical SMILES

N#CC1=C(Br)C=C(C=C1C)C(=O)OC

Other Names for this Substance

  • Benzoic acid, 3-bromo-4-cyano-5-methyl-, methyl ester
  • Methyl 3-bromo-4-cyano-5-methylbenzoate